SCHEMBL7006047

SCHEMBL7006047

c1ccc(C(c2ccccc2)N2CCc3nc(N4CCOCC4)ccc3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ HPGD P15428 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HTT P42858 2/20 0.40
▸ GAA P10253 4/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GLA P06280 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL7017753 0.77 CHRM2 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL2913307 0.76 TMEM97 (0.60) LMNATDP1NPC1RAB9AMAPT
SCHEMBL19674850 0.75 HRH4 (0.43) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL19504487 0.74 HRH3 (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL17624437 0.70 HRH4 (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL4009586 0.69 HTR2C (0.63) ALDH1A1KDM4ETDP1HTTGAA
SCHEMBL8203593 0.69 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL2793637 0.68 ALDH1A1 (0.67) ALDH1A1KDM4EHSP90AA1TSHRL3MBTL1
SCHEMBL2911347 0.68 HTR2C (0.54) SMN1; SMN2HTTGAAHTR2AHTR2C
SCHEMBL19498194 0.67 GAA (0.43) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653302-B2 Benign prostatic hyperplasia PFIZER INC. 2003-11-25 — — US disclosed
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2003-07-10 — — US disclosed
EP-0968208-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER LTD (GB) 2003-06-04 — — EP disclosed
US-6521629-B2 2-amine substituted quinoline or quinozoline derivatives useful for treating benign prostatic hyperplasia PFIZER INC. 2003-02-18 — — US disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 — — US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 — — US disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 — — US disclosed
EP-0968208-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA Pfizer Limited (GB) 2000-01-05 — — EP disclosed
WO-1998030560-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BEGNIN PROSTATIC HYPERPLASIA PFIZER LIMITED (GB) 1998-07-16 — — 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 (2 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-20030130259-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, LPXN ALDH1A1 498/4885KDM4E 2897/4885SMN1; SMN2 3889/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 ALDH1A1 420/4885KDM4E 2920/4885SMN1; SMN2 3990/4885

“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.

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