SCHEMBL2767533

SCHEMBL2767533

Cc1ccc(Cl)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.67
CYP1A1 P04798 1/20 0.64
CYP1A2 P05177 1/20 0.64
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP3A4 P08684 2/20 0.55
TSHR P16473 2/20 0.55
NPC1 O15118 2/20 0.55
MAPK1 P28482 2/20 0.55
RAB9A P51151 2/20 0.55
CASP3 P42574 1/20 0.55
HBB P68871 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
ELANE P08246 1/20 0.50
LMNA P02545 2/20 0.47
NSD2 O96028 1/20 0.47
MAOA P21397 3/20 0.47
FGR P09769 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
SCHEMBL13468048 0.89 ADORA2A (0.59) ADORA2ACYP1A1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL308115 0.87 ADORA2A (0.76) ADORA2ACYP1A1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL30886455 0.87 ALDH1A1 (0.67) ADORA2ACYP1A1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL55743 0.87 ALDH1A1 (0.67) ADORA2ACYP1A1CYP1A2ALDH1A1SMN1; SMN2
Dichlon SCHEMBL9820419 0.86 IDO1 (0.67) ADORA2ACYP1A1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL9267831 0.83 ALDH1A1 (0.62) ADORA2ACYP1A1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL28115066 0.82 NSD2 (0.49) ADORA2ACYP1A1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL16281847 0.81 ALDH1A1 (0.66) ADORA2ACYP1A1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL5109323 0.80 ADORA2A (1.00) ADORA2ACYP1A1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL3581453 0.78 CYP1A1 (1.00) ADORA2ACYP1A1CYP1A2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096536-B2 Asymmetrically substituted anthrapyridazone derivatives as cytostatics BS-154 S.P. ZO.O. (PL) 2015-08-04 US disclosed
US-9096536-B2 Asymmetrically substituted anthrapyridazone derivatives as cytostatics BS-154 S.P. ZO.O. (PL) 2015-08-04 US disclosed
US-9096536-B2 Asymmetrically substituted anthrapyridazone derivatives as cytostatics BS-154 S.P. ZO.O. (PL) 2015-08-04 US disclosed
EP-2697205-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS BS-154 SP. Z O.O. (PL) 2014-02-19 EP disclosed
US-20140031357-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS BS-154 SP. Z O.O. (PL) 2014-01-30 US disclosed
US-20140031357-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS BS-154 SP. Z O.O. (PL) 2014-01-30 US disclosed
US-20140031357-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS BS-154 SP. Z O.O. (PL) 2014-01-30 US disclosed
WO-2012141604-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS INSTYTUT FARMACEUTYCZNY (PL) 2012-10-18 WO disclosed
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed
EP-0432095-A1 Anthraquino vat dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
EP-0274458-B1 ANTHRAQUINONE VAT DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1990-09-19 EP disclosed
EP-0274356-B1 VATTABLE 2-ARYL-4,6-DIAMINOPYRIMIDINE CIBA-GEIGY AG (CH) 1990-05-16 EP disclosed
US-4845220-A Vattable 2-aryl-4,6-diaminopyrimidines CIBA-GEIGY CORPORATION 1989-07-04 US disclosed
EP-0274356-A1 Vattable 2-aryl-4,6-diaminopyrimidine CIBA-GEIGY AG (CH) 1988-07-13 EP disclosed
EP-0274458-A1 Anthraquinone vat dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1988-07-13 EP disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 US disclosed
US-3972881-A VAT, CELLULOSE CIBA-GEIGY CORPORATION (US) 1976-08-03 US disclosed
US-3935208-A NATURAL OR REGENERATED CELLULOSE ALTERMATT HANS 1976-01-27 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 (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-20140031357-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS ABCC1, ABCC3, ABCB1 ADORA2A 665/4885CYP1A1 866/4885CYP1A2 895/4885

“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.