SCHEMBL7296244

SCHEMBL7296244

NCCSCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.57
CYP1A2 P05177 4/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
CYP2D6 P10635 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.46
CYP2E1 P05181 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2B6 P20813 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.41

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
Hydrochloric Acid SCHEMBL11201133 0.98 HRH1 (0.55) HRH1CYP1A2ALDH1A1TSHRCYP2D6
Bromide SCHEMBL10628485 0.98 HRH1 (0.55) HRH1CYP1A2ALDH1A1TSHRCYP2D6
SCHEMBL5169553 0.89 HRH1 (0.56) HRH1CYP1A2ALDH1A1TSHRCYP2D6
SCHEMBL31058796 0.88 ALDH1A1 (0.59) HRH1CYP1A2ALDH1A1TSHRCYP2D6
SCHEMBL30732408 0.86 ALDH1A1 (0.58) HRH1CYP1A2ALDH1A1TSHRCYP2D6
SCHEMBL12055882 0.86 ALDH1A1 (0.58) HRH1CYP1A2ALDH1A1TSHRCYP2D6
SCHEMBL6130015 0.83 CYP1A2 (0.63) HRH1CYP1A2ALDH1A1TSHRCYP2D6
SCHEMBL11210347 0.83 HRH1 (0.66) HRH1CYP1A2ALDH1A1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL31146769 0.81 HRH1 (0.63) HRH1CYP1A2ALDH1A1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL17633755 0.81 HRH1 (0.63) HRH1CYP1A2ALDH1A1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488544-B1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION UNIV MONASH (AU) 2015-03-18 EP disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
WO-2011044637-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY (AU) 2011-04-21 WO disclosed
EP-0492178-B1 Naphthoic acid derivative FUJIREBIO KK (JP) 1995-10-04 EP disclosed
US-5324728-A Lipoxygenase inhibiting antiallergens FUJIREBIO INC. (JP) 1994-06-28 US disclosed
EP-0492178-A2 Naphthoic acid derivative FUJIREBIO INC. (JP) 1992-07-01 EP disclosed
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
US-4145546-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-03-20 US disclosed
US-4140783-A INHIBITORS OF HISTAMINE H-2 RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-02-20 US disclosed
US-4112104-A UREA, THIOUREA OR GUANIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-09-05 US disclosed
US-4080459-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-03-21 US disclosed
US-4056620-A INHIBITION OF HISTAMINE H-2 RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-11-01 US disclosed
US-4025527-A H-2 HISTAMINE RECEPTOR INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-24 US disclosed
US-4024260-A INHIBITS H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 US disclosed
US-4013659-A CERTAIN N,N'-DISUBSTITUTED GUANIDINE COMPOUNDS AND THEIR USE SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-22 US disclosed
US-4013769-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-22 US disclosed
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 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-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MAX, SPR, CCL2 HRH1 1554/4885CYP1A2 3926/4885ALDH1A1 2415/4885

“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.