SCHEMBL7829720

SCHEMBL7829720

N=C(Nc1ccccc1)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.50
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
JAK2 O60674 1/20 0.46
TYK2 P29597 1/20 0.46
HTT P42858 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL28579522 0.89 SMO (0.59) SMOALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL5336139 0.89 SMO (0.47) SMOPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL6967030 0.89 KCNK3 (0.55) SMOPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL28574727 0.85 NPC1 (0.51) SMOPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL6344638 0.85 MAPK1 (0.51) SMOPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL1437533 0.84 FADS1 (0.53) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL28567907 0.82 NPC1 (0.51) ALDH1A1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL28914211 0.81 KCNK3 (0.57) POLBALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL28573597 0.81 RAB9A (0.49) SMOPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL28913723 0.81 RAB9A (0.48) SMOALDH1A1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108084110-B 3-aminobenzo [ d ] isothiazole, derivative and synthetic method thereof 湘潭大学 2021-05-07 CN disclosed
US-20010051630-A1 Use of hydroxylamine derivatives, and method and preparations for increasing the tolerance of field crops against weather stresses JEDNAKOVITS ANDREA (HU) 2001-12-13 US disclosed
EP-1018876-A1 USE OF HYDROXYLAMINE DERIVATIVES, AND METHOD AND PREPARATIONS FOR INCREASING THE TOLERANCE OF FIELD CROPS AGAINST WEATHER STRESSES BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 2000-07-19 EP disclosed
WO-1998047362-A1 USE OF HYDROXYLAMINE DERIVATIVES, AND METHOD AND PREPARATIONS FOR INCREASING THE TOLERANCE OF FIELD CROPS AGAINST WEATHER STRESSES Biorex Kutató és Fejlesztó Rt. (HU) 1998-10-29 WO 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 (1 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-20010051630-A1 Use of hydroxylamine derivatives, and method and preparations for increasing the tolerance of field crops against weather stresses CYP8B1, HDHD5, AHSA1 SMO 4791/4885POLB 3244/4885ALDH1A1 1998/4885

“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.