SCHEMBL16506402

SCHEMBL16506402

COCCNc1nccnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LDHA P00338 1/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP3A4 P08684 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
PKM P14618 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GRM4 Q14833 1/20 0.38
KMT2A Q03164 2/20 0.37

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
SCHEMBL2629006 0.79 KDM4E (0.44) UTS2RALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL27713561 0.78 UTS2R (0.44) UTS2RALDH1A1KDM4ESMN1; SMN2LDHA
SCHEMBL4308925 0.76 PIK3CD (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL21855993 0.76 UTS2R (0.41) UTS2RALDH1A1KDM4ESMN1; SMN2LDHA
SCHEMBL9995869 0.76 KDM4E (0.51) UTS2RALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL21856112 0.75 UTS2R (0.46) UTS2RALDH1A1KDM4ESMN1; SMN2LDHA
SCHEMBL21856005 0.75 UTS2R (0.46) UTS2RALDH1A1KDM4ESMN1; SMN2LDHA
SCHEMBL16533819 0.75 MAPK1 (0.42) KDM4ESMN1; SMN2LMNAHTTNPC1
SCHEMBL19212815 0.73 MEN1 (0.37) ALDH1A1KDM4ESMN1; SMN2HTTNPC1
SCHEMBL16506482 0.73 ALDH1A1 (0.43) UTS2RALDH1A1KDM4ELDHALMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 US disclosed
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 US disclosed
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 US disclosed
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-06-30 US disclosed
EP-3036229-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 EP disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 US disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 US disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 US 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-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA UTS2R 3199/4885ALDH1A1 25/4885KDM4E 2642/4885
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA UTS2R 3199/4885ALDH1A1 25/4885KDM4E 2642/4885
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA UTS2R 3199/4885ALDH1A1 25/4885KDM4E 2642/4885

“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.