SCHEMBL4853385

SCHEMBL4853385

Oc1cc(-c2ccccc2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.61
NPC1 O15118 11/20 0.61
NOTUM Q6P988 2/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
NFKB1 P19838 1/20 0.58
CYP2C19 P33261 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
TP53 P04637 1/20 0.51
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CYP11B1 P15538 1/20 0.47
PTPN1 P18031 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28031536 0.96 RAB9A (0.57) RAB9ANPC1NOTUMSMN1; SMN2MEN1
SCHEMBL28217755 0.82 RAB9A (0.44) RAB9ANPC1NOTUMSMN1; SMN2MEN1
SCHEMBL9068926 0.81 S1PR1 (0.42) RAB9ANPC1NOTUMSMN1; SMN2MEN1
SCHEMBL23360227 0.81 PTPN1 (0.44) RAB9ANPC1NOTUMSMN1; SMN2MEN1
SCHEMBL1716409 0.79 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL19379939 0.76 RAB9A (0.63) RAB9ANPC1NOTUMSMN1; SMN2MEN1
3,5-Diphenylisoxazole SCHEMBL1421260 0.76 NPC1 (1.00) RAB9ANPC1NOTUMSMN1; SMN2MEN1
SCHEMBL14753038 0.75 RAB9A (0.57) RAB9ANPC1NOTUMSMN1; SMN2MEN1
SCHEMBL18031145 0.75 NPC1 (0.79) RAB9ANPC1NOTUMSMN1; SMN2MEN1
SCHEMBL12959175 0.74 RAB9A (0.61) RAB9ANPC1NOTUMSMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
EP-2900644-B1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2016-09-21 EP disclosed
EP-2752413-B1 QUINAZOLINE DERIVATIVE AND APPLICATION THEREOF FUJIAN MATTER STRUCTURE (CN) 2016-03-23 EP disclosed
US-9193718-B2 Quinazoline derivative and application thereof FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-24 US disclosed
EP-2900644-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-104797564-A Herbicidal and fungicidal 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides BAYER CROPSCIENCE AG 2015-07-22 CN disclosed
US-20140221402-A1 QUINAZOLINE DERIVATIVE AND APPLICATION THEREOF FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER, CHINESE ACADEMY OF SCIENCES (JP) 2014-08-07 US disclosed
EP-2752413-A1 QUINAZOLINE DERIVATIVE AND APPLICATION THEREOF Fujian Institute Of Research On The Structure Of Matter, Chinese Academy Of Sciences (CN) 2014-07-09 EP disclosed
US-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
US-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO disclosed
US-20050164120-A1 Photopolymerizable composition KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2005-07-28 US disclosed
EP-1493757-A1 PHOTOPOLYMERIZABLE COMPOSITION Kyowa Hakko Chemical Co., Ltd. (JP) 2005-01-05 EP disclosed
US-6818262-B2 SQUARYLIUM DYES KYOWA YUKA CO., LTD. (JP) 2004-11-16 US disclosed
US-20030165640-A1 Filters for electronic display device KYOWA YUKA CO., LTD. (JP) 2003-09-04 US disclosed
EP-1335215-A1 Squarylium compounds as filters for electronic display device Kyowa Yuka Co., Ltd. (JP) 2003-08-13 EP disclosed
CN-1435700-A Electric filter for electronic display KYOWA YUKA KK (JP) 2003-08-13 CN disclosed
US-5585357-A Heteroaryloxymethyl ketones as interleukin-1βconverting enzyme inhibitors SANOFI WINTHROP INC. (US) 1996-12-17 US disclosed
EP-0644198-A1 Alpha-heteroaryloxymethyl ketones as interleukin-1beta converting enzyme inhibitors STERLING WINTHROP INC. (US) 1995-03-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140221402-A1 QUINAZOLINE DERIVATIVE AND APPLICATION THEREOF ERBB4, EGFR, ERBB2 RAB9A 1800/4885NPC1 1176/4885NOTUM 3313/4885
US-20030165640-A1 Filters for electronic display device DRD4, DRD2, NDUFS5 RAB9A 1435/4885NPC1 4240/4885NOTUM 2964/4885
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 RAB9A 4235/4885NPC1 4814/4885NOTUM 1891/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.